public_id

FDB004390

IUPAC 名称

2,6,6-trimethylcyclohex-2-en-1-one

描述

2,6,6-trimethylcyclohex-2-en-1-one is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 2,6,6-trimethylcyclohex-2-en-1-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2,6,6-trimethylcyclohex-2-en-1-one can be found in tea, which makes 2,6,6-trimethylcyclohex-2-en-1-one a potential biomarker for the consumption of this food product.

CAS号

78-59-1

异构

CC1=CCCC(C)(C)C1=O

InChI标识符

InChI=1S/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3

键

NAXZOZQQIIMORY-UHFFFAOYSA-N

平均分子量

138.10446507

id

4391

含有化合物的食物

食物id	食物名称
38	Tea
957	Red tea
1021	Herbal tea
940	Green tea
939	Black tea